trimethyl-(5-methylmorpholin-2-yl)azanium

C8H19N2O+ — CID 68971801

IUPACtrimethyl-(5-methylmorpholin-2-yl)azanium
SMILESCC1COC([N+](C)(C)C)CN1
InChIInChI=1S/C8H19N2O/c1-7-6-11-8(5-9-7)10(2,3)4/h7-9H,5-6H2,1-4H3/q+1
InChIKeyDZSFZELBEJCJIS-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.03
Rot. Bonds1

About trimethyl-(5-methylmorpholin-2-yl)azanium

trimethyl-(5-methylmorpholin-2-yl)azanium (PubChem CID 68971801) has the molecular formula C8H19N2O+ and a molecular weight of 159.25 g/mol. Its IUPAC name is trimethyl-(5-methylmorpholin-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(5-methylmorpholin-2-yl)azanium
PubChem CID68971801
Molecular FormulaC8H19N2O+
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC Nametrimethyl-(5-methylmorpholin-2-yl)azanium
SMILESCC1COC([N+](C)(C)C)CN1
InChIInChI=1S/C8H19N2O/c1-7-6-11-8(5-9-7)10(2,3)4/h7-9H,5-6H2,1-4H3/q+1
InChIKeyDZSFZELBEJCJIS-UHFFFAOYSA-N
XLogP0.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(5-methylmorpholin-2-yl)azanium?
The IUPAC name of trimethyl-(5-methylmorpholin-2-yl)azanium (CID 68971801) is trimethyl-(5-methylmorpholin-2-yl)azanium.
What is the SMILES notation for trimethyl-(5-methylmorpholin-2-yl)azanium?
The canonical SMILES for trimethyl-(5-methylmorpholin-2-yl)azanium is CC1COC([N+](C)(C)C)CN1.
What is the InChIKey of trimethyl-(5-methylmorpholin-2-yl)azanium?
The InChIKey is DZSFZELBEJCJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O/c1-7-6-11-8(5-9-7)10(2,3)4/h7-9H,5-6H2,1-4H3/q+1.
What are the key properties of trimethyl-(5-methylmorpholin-2-yl)azanium?
trimethyl-(5-methylmorpholin-2-yl)azanium has a molecular weight of 159.25 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(5-methylmorpholin-2-yl)azanium is sourced from PubChem (CID 68971801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).